(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride

C6H14ClF3N2 — CID 171203123

IUPAC(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)C(F)(F)F
InChIInChI=1S/C6H13F3N2.ClH/c7-6(8,9)5(11)3-1-2-4-10;/h5H,1-4,10-11H2;1H/t5-;/m1./s1
InChIKeyADEDGHFAVYHNEK-NUBCRITNSA-N
MW206.64 g/mol
LogP1.43
Rot. Bonds4

About (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride

(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride (PubChem CID 171203123) has the molecular formula C6H14ClF3N2 and a molecular weight of 206.64 g/mol. Its IUPAC name is (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride
PubChem CID171203123
Molecular FormulaC6H14ClF3N2
Molecular Weight206.64 g/mol
Exact Mass206.08
IUPAC Name(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)C(F)(F)F
InChIInChI=1S/C6H13F3N2.ClH/c7-6(8,9)5(11)3-1-2-4-10;/h5H,1-4,10-11H2;1H/t5-;/m1./s1
InChIKeyADEDGHFAVYHNEK-NUBCRITNSA-N
XLogP1.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
CID 171203125
(5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine
CID 171210339
21-(trifluoromethyl)hentetracontane-1,41-diamine
CID 150441397
1,1,1-trifluorohexan-2-amine
CID 50998628
(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride
CID 171222694
(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine
CID 171203128
pentacosane-1,13,25-triamine
CID 174653759
octane-1,4,8-triamine
CID 18544198
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
2,6-diaminohexanoic acid;methane;hydrochloride
CID 175503313
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614

Frequently Asked Questions

What is the IUPAC name of (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride?
The IUPAC name of (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride (CID 171203123) is (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride.
What is the SMILES notation for (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride?
The canonical SMILES for (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)C(F)(F)F.
What is the InChIKey of (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride?
The InChIKey is ADEDGHFAVYHNEK-NUBCRITNSA-N. The full InChI is InChI=1S/C6H13F3N2.ClH/c7-6(8,9)5(11)3-1-2-4-10;/h5H,1-4,10-11H2;1H/t5-;/m1./s1.
What are the key properties of (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride?
(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride has a molecular weight of 206.64 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171203123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).